Anthranilic acid, N,N-bis(2-chloroethyl)-

Base Information

• Chemical Name: Anthranilic acid, N,N-bis(2-chloroethyl)-
• CAS No.: 3085-99-2
• Molecular Formula: C11H13 Cl2 N O2
• Molecular Weight: 262.1324
• NSC Number: 260455
• UNII: ST5N6MSH3H
• DSSTox Substance ID: DTXSID50184869
• Nikkaji Number: J646.137I
• Wikidata: Q83055809
• Mol file: 3085-99-2.mol

Synonyms:Benzoic acid, 2-[bis(2-chloroethyl)amino]-;3085-99-2;ANTHRANILIC ACID, N,N-BIS(2-CHLOROETHYL)-;NSC 260455;BRN 2809059;N,N-Bis(2-chloroethyl)anthranilic acid;2-(Bis(2-chloroethyl)amino)benzoic acid;NSC-260455;2-[bis(2-chloroethyl)amino]benzoic acid;Benzoic acid, 2-(bis(2-chloroethyl)amino)-;NSC260455;ST5N6MSH3H;SCHEMBL7476350;DTXSID50184869;UXUKWLCXNDMFIX-UHFFFAOYSA-N;Anthranilic acid,N-bis(2-chloroethyl)-;LS-20446;N,N-bis(2-chloroethyl)amino benzoic acid;2-[N,N-Bis(2-chloroethyl)amino]benzoic acid

Chemical Property of Anthranilic acid, N,N-bis(2-chloroethyl)-

Chemical Property:

• Vapor Pressure: 3.18E-07mmHg at 25°C
• Boiling Point: 403.2°Cat760mmHg
• Flash Point: 197.6°C
• Density: 1.339g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 261.0323340
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)N(CCCl)CCCl

Technology Process of Anthranilic acid, N,N-bis(2-chloroethyl)-

There total 6 articles about Anthranilic acid, N,N-bis(2-chloroethyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 61.0%

ethyl 2-[N,N-bis(2-chloroethyl)amino]benzoate → o-N,N-bis(2-chloroethyl)aminobenzoic acid (3085-99-2)

Guidance literature:

With hydrogenchloride;

Reference yield:

N,N-bis-(2-chloro-ethyl)-anthranilic acid methyl ester (3086-00-8) → o-N,N-bis(2-chloroethyl)aminobenzoic acid (3085-99-2)

Guidance literature:

With hydrogenchloride;

Reference yield:

1-(2-hydroxy-ethyl)-2,3-dihydro-1H-benz[e][1,4]oxazepin-5-one (854163-11-4) → o-N,N-bis(2-chloroethyl)aminobenzoic acid (3085-99-2)

Guidance literature:

Multi-step reaction with 3 steps

1: HCl

2: POCl₃

3: aqueous HCl

With hydrogenchloride; trichlorophosphate;

upstream raw materials:

N,N-bis-(2-chloro-ethyl)-anthranilic acid methyl ester

1-(2-hydroxy-ethyl)-2,3-dihydro-1H-benz[e][1,4]oxazepin-5-one

N,N-bis-(2-hydroxy-ethyl)-anthranilic acid methyl ester

2-carbomethoxyaniline

Downstream raw materials:

3β-hydroxy-13α-amino-13,17-seco-5-androsten-17-oic-13,17-lactam o-N,N-bis(2-chloroethyl)aminobenzoate

Refernces